diethyl-[3-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]propyl]azanium

Systemtic Name: diethyl-[3-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]propyl]azanium Openeye Name: diethyl-[3-[[2-(3-methyl-1-oxo-2-isoquinolyl)acetyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]amino]propyl]ammonium Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C

InChI

InChI=1S/C19H27N3O2/c1-4-21(5-2)12-8-11-20-18(23)14-22-15(3)13-16-9-6-7-10-17(16)19(22)24/h6-7,9-10,13H,4-5,8,11-12,14H2,1-3H3,(H,20,23)/p+1